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science/lammps: Update patch_2Jul2021 -> stable_29Sep2021

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Reported by:	upstream notification
This commit is contained in:
Yuri Victorovich 2021-09-30 10:27:18 -07:00
parent be35ffec8d
commit fc03b499c6
3 changed files with 26 additions and 17 deletions
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36
science/lammps/Makefile
View File

@ -11,13 +11,20 @@ LICENSE_FILE= ${WRKSRC}/LICENSE
BROKEN_i386= undefined reference to `__atomic_load'
CONFLICTS_BUILD= ga mpich mpich2 # conflicts with include/error.h from ga, already fixed in the head
LIB_DEPENDS= libfftw3.so:math/fftw3
LIB_DEPENDS= libevent.so:devel/libevent \
libfftw3.so:math/fftw3 \
libhwloc.so:devel/hwloc2 \
libnghttp2.so:www/libnghttp2 \
libpciaccess.so:devel/libpciaccess \
libssh2.so:security/libssh2
USES= blaslapack:openblas cmake:noninja compiler:c++11-lang eigen:3 fortran localbase:ldflags shebangfix
USE_GITHUB= yes
GH_TAGNAME= patch_2Jul2021
USES= blaslapack:openblas cmake:noninja compiler:c++11-lang eigen:3 fortran gnome localbase:ldflags shebangfix
USE_GNOME= libxml2
USE_LDCONFIG= yes
USE_GITHUB= yes
GH_TAGNAME= stable_29Sep2021
SHEBANG_GLOB= *.sh *.bash
SHEBANG_FILES= lib/kokkos/bin/nvcc_wrapper
@ -27,16 +34,17 @@ CMAKE_ARGS= -DBLA_VENDOR:STRING="OpenBLAS" ${CMAKE_ARGS_${CHOSEN_COMPILER_TYPE}}
CMAKE_ARGS_gcc= -DBUILD_OMP:BOOL=false
# enable packages (for a complete list see STANDARD_PACKAGES in cmake/CMakeLists.txt)
CMAKE_ON+= PKG_ASPHERE PKG_BODY PKG_CLASS2 PKG_COLLOID PKG_COMPRESS PKG_DIPOLE
CMAKE_ON+= PKG_GRANULAR PKG_KSPACE PKG_MANYBODY PKG_MC PKG_MESSAGE PKG_MISC PKG_MOLECULE PKG_PERI PKG_POEMS PKG_QEQ
CMAKE_ON+= PKG_REPLICA PKG_RIGID PKG_SHOCK PKG_SPIN PKG_SNAP PKG_SRD
CMAKE_ON+= PKG_USER-ATC PKG_USER-AWPMD PKG_USER-BOCS PKG_USER-CGDNA PKG_USER-MESODPD PKG_USER-CGSDK PKG_USER-COLVARS
CMAKE_ON+= PKG_USER-DIFFRACTION PKG_USER-DPD PKG_USER-DRUDE PKG_USER-EFF PKG_USER-FEP
CMAKE_ON+= PKG_USER-MANIFOLD PKG_USER-MEAMC PKG_USER-MGPT PKG_USER-MISC PKG_USER-MOFFF PKG_USER-MOLFILE
CMAKE_ON+= PKG_USER-PHONON PKG_USER-PTM PKG_USER-QTB PKG_USER-REACTION
CMAKE_ON+= PKG_USER-REAXC PKG_USER-SDPD PKG_USER-SMD PKG_USER-SMTBQ PKG_USER-SPH PKG_USER-TALLY
CMAKE_ON+= PKG_USER-UEF PKG_USER-QMMM PKG_USER-YAFF
# Packages requiring extra downloades or dependencies: PKG_MSCG PKG_USER-ADIOS2 PKG_USER-NETCDF PKG_USER-QUIP PKG_USER-SCAFACOS
CMAKE_ON+= PKG_ASPHERE PKG_ATC PKG_AWPMD PKG_BOCS PKG_BODY PKG_BROWNIAN PKG_CG-DNA PKG_CG-SDK PKG_CLASS2
CMAKE_ON+= PKG_COLLOID PKG_COLVARS PKG_COMPRESS PKG_DIELECTRIC PKG_DIFFRACTION PKG_DIPOLE PKG_DPD-BASIC PKG_DPD-MESO PKG_DPD-REACT PKG_DPD-SMOOTH
CMAKE_ON+= PKG_DRUDE PKG_EFF PKG_EXTRA-COMPUTE PKG_EXTRA-DUMP PKG_EXTRA-FIX PKG_EXTRA-MOLECULE PKG_EXTRA-PAIR PKG_FEP PKG_GRANULAR PKG_H5MD
CMAKE_ON+= PKG_INTERLAYER PKG_KIM PKG_KSPACE PKG_LATBOLTZ PKG_LATTE PKG_MACHDYN PKG_MANIFOLD PKG_MANYBODY PKG_MC
CMAKE_ON+= PKG_MEAM PKG_MESSAGE PKG_MGPT PKG_MISC PKG_ML-IAP PKG_ML-RANN
CMAKE_ON+= PKG_ML-SNAP PKG_MOFFF PKG_MOLECULE PKG_MOLFILE PKG_MPIIO PKG_ORIENT PKG_PERI PKG_PHONON
CMAKE_ON+= PKG_PLUGIN PKG_PLUMED PKG_POEMS PKG_PTM PKG_PYTHON PKG_QEQ PKG_QMMM PKG_QTB PKG_REACTION PKG_REAXFF
CMAKE_ON+= PKG_REPLICA PKG_RIGID PKG_SHOCK PKG_SMTBQ PKG_SPH PKG_SPIN PKG_SRD PKG_TALLY PKG_UEF
CMAKE_ON+= PKG_VORONOI PKG_YAFF
# Packages requiring extra downloades or dependencies: PKG_MSCG PKG_ADIOS PKG_MDI PKG_MESONT PKG_ML-PACE PKG_NETCDF PKG_ML-QUIP PKG_SCAFACOS PKG_VTK
# PKG_ML-HDNNP downloads https://github.com/CompPhysVienna/n2p2/archive/v2.1.4.tar.gz
OPTIONS_DEFINE= EXCEPTIONS JPEG PNG GZIP FFMPEG
OPTIONS_GROUP= PARALLEL PACKAGES

6
science/lammps/distinfo
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@ -1,3 +1,3 @@
TIMESTAMP = 1625270587
SHA256 (lammps-lammps-2021.07.2-patch_2Jul2021_GH0.tar.gz) = 4fdd8ca2dbde8809c0048716650b73ae1f840e22ebe24b25f6f7a499377fea57
SIZE (lammps-lammps-2021.07.2-patch_2Jul2021_GH0.tar.gz) = 120010348
TIMESTAMP = 1632986703
SHA256 (lammps-lammps-2021.09.29-stable_29Sep2021_GH0.tar.gz) = 2dff656cb21fd9a6d46c818741c99d400cfb1b12102604844663b655fb2f893d
SIZE (lammps-lammps-2021.09.29-stable_29Sep2021_GH0.tar.gz) = 121301656

1
science/lammps/pkg-plist
View File

@ -190,6 +190,7 @@ man/man1/lmp.1.gz
%%DATADIR%%/potentials/SiC.tersoff.zbl
%%DATADIR%%/potentials/SiC.vashishta
%%DATADIR%%/potentials/SiCGe.tersoff
%%DATADIR%%/potentials/SiGeH.sw.quip
%%DATADIR%%/potentials/SiC_1989.tersoff
%%DATADIR%%/potentials/SiC_1990.tersoff
%%DATADIR%%/potentials/SiC_1994.tersoff